Information card for entry 1564648

Structure parameters

• Formula: C123 H90 Al3 F114 Fe3 O12 P15 Te3
• Calculated formula: C111 H82 Al3 F110 Fe3 O12 P15 Te3
• Title of publication: Substituted aromatic pentaphosphole ligands ‒ a journey across the p-block
• Authors of publication: Riesinger, Christoph; Balázs, Gábor; Seidl, Michael; Scheer, Manfred
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 18.1681 ± 0.0007 Å
• b: 19.4877 ± 0.0007 Å
• c: 28.8463 ± 0.001 Å
• α: 77.316 ± 0.003°
• β: 72.113 ± 0.003°
• γ: 64.085 ± 0.004°
• Cell volume: 8698.6 ± 0.6 ų
• Cell temperature: 122.99 ± 0.1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1662
• Weighted residual factors for all reflections included in the refinement: 0.1815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No